Steffen, A., M. Karasz, C. Thiele, T. Lengauer, A. Kämper, G. Wenz and J. Apostolakis: Combined similarity and QSPR virtual screening for guest molecules of ß-cyclodextrin. In: New Journal of Chemistry 31, 11, 1941-1949 (2007).
doi: 10.1039/b707856k
localid: C12573CC004A8E26-392501E3C679F87BC12573CC0037E0C1-Lengauer2007t
Steffen, A., C. Thiele, S. Tietze, C. Strassnig, A. Kämper, T. Lengauer, G. Wenz and J. Apostolakis: Improved cyclodextrin-based receptors for camptothecin by inverse virtual screening. In: Chemistry 13, 24, 6801-6809 (2007).
doi: 10.1002/chem.200700661
localid: C12573CC004A8E26-1CFB006514B6855FC12573CC0036EEB8-Lengauer2007q
Steffen, A. and J. Apostolakis: On the ease of predicting the thermodynamic properties of beta-cyclodextrin inclusion complexes. In: Chemistry Central Journal 1, Art.29.1-11 (2007).
doi: 10.1186/1752-153X-1-29
url: http://dx.doi.org/10.1186/1752-153X-1-29
localid: C125756E0038A185-1C71FA86B3C50BCBC125757E004D18AE-Steffen2007
Kämper, A., J. Apostolakis, M. Rarey, C.M. Marian and T. Lengauer: Fully Automated Flexible Docking of Ligands into Flexible Synthetic Receptors Using Forward and Inverse Docking Strategies. In: Journal of Chemical Information and Modeling 46, 903-911 (2006).
localid: C125673F004B2D7B-BF5F1BA2A334D543C125722000467E5F-Kaemper2006a
Apostolakis, J., D. Hofmann and T. Lengauer: Derivation of a scoring function for crystal structure prediction. In: Acta Crystallographica A57, 442-450 (2001).
localid: C125673F004B2D7B-7BE0C5D79C10B79FC1256B4B00542A6F-Lengauer2001e
Kämper, A., J. Apostolakis, M. Rarey, C.M. Marian and T. Lengauer: Docking of Ligands into Artificial Receptors. Poster at the Annual Meeting of the German CHemical Society, Würzburg, Germany (2001).
localid: C125673F004B2D7B-73D8D3C07324DA35C1256D26002E78C7-KaemperLengauer2001b
Kämper, A., J. Apostolakis, M. Rarey, C.M. Marian and T. Lengauer: Docking of Ligands into Artificial Receptors. In: Electronically Excited Molecules: Structure and Dynamics, 37th Symposium for Theoretical Chemistry Arbeitsgemeinschaft Theoretische Chemie, Heidelberg, Germany (2001).
localid: C125673F004B2D7B-D268F91AF2791C4CC1256CB8002E2074-KaemperLengauer2001a
http://edoc.mpg.de
The Max Planck Society does not take any responsibility for the content of this export.